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CAS 1026797-01-2

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2-[4-[(2,2-Difluoroethyl)thio]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Description:
2-[4-[(2,2-Difluoroethyl)thio]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a boron-containing organic compound characterized by its unique structural features, including a dioxaborolane ring and a phenyl group substituted with a difluoroethylthio moiety. This compound typically exhibits properties associated with boron compounds, such as potential applications in organic synthesis and medicinal chemistry due to its ability to participate in various chemical reactions, including cross-coupling reactions. The presence of the difluoroethyl group may enhance its lipophilicity and influence its biological activity. Additionally, the tetramethyl substituents on the dioxaborolane ring contribute to its stability and steric hindrance, which can affect its reactivity. The compound's solubility, melting point, and boiling point would depend on its molecular interactions and the presence of functional groups. Overall, this compound represents a class of boron compounds that are of interest for their synthetic utility and potential applications in pharmaceuticals and materials science.
Formula:C14H19BF2O2S
InChI:InChI=1S/C14H19BF2O2S/c1-13(2)14(3,4)19-15(18-13)10-5-7-11(8-6-10)20-9-12(16)17/h5-8,12H,9H2,1-4H3
InChI key:InChIKey=VAECPVSLUHHMEL-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC=C(SCC(F)F)C=C2
Synonyms:
  • 2-[4-[(2,2-Difluoroethyl)thio]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 1,3,2-Dioxaborolane, 2-[4-[(2,2-difluoroethyl)thio]phenyl]-4,4,5,5-tetramethyl-
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